Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29752613 | 0.85 | MAOA (0.62) | MAOAMAOBNFKB1KDM4ECYP3A4 | |
| SCHEMBL623741 | 0.85 | MAOA (0.62) | MAOAMAOBNFKB1KDM4ECYP3A4 | |
| SCHEMBL19683513 | 0.84 | MAOA (0.50) | MAOAMAOBNFKB1MTNR1AMTNR1B | |
| SCHEMBL10054249 | 0.79 | MAOA (0.42) | MAOAMAOBNFKB1KDM4ECYP3A4 | |
| SCHEMBL19683556 | 0.79 | MAOA (0.55) | MAOAMAOBNFKB1KDM4ECYP3A4 | |
| SCHEMBL18740448 | 0.75 | HSD17B10 (0.44) | MAOAMAOBKDM4ECYP3A4HSD17B10 | |
| SCHEMBL11823570 | 0.75 | MAOA (0.50) | MAOAMAOBNFKB1KDM4ECYP3A4 | |
| SCHEMBL1866520 | 0.73 | MTNR1A (0.48) | MAOAMAOBNFKB1MTNR1AMTNR1B | |
| SCHEMBL19683641 | 0.73 | MAOA (0.37) | MAOAMAOBNFKB1HTR2AHTR2C | |
| SCHEMBL30423508 | 0.73 | MTNR1A (0.48) | MAOAMAOBNFKB1MTNR1AMTNR1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |